Geometry & MOs

Info

ID:	37981
PubChem CID:	8026230
Reduced:	S2N3O3C19H19 (1)
Stoich.:	A2B3C3D19E19 (1)
Weight, g/mol:	374.120132
ΔH_f, kcal/mol:	-44.95
Dipole, Da:	4.26
IP(EA), eV:	-9.09(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(CC(=O)NC2=NC(=CS2)C3=CC=CC=C3)S(=O)(=O)C

DOS

IR

Vibrations